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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Automated Construction of Artificial Lattice Structures with Designer Electronic States

Manipulating matter with a scanning tunneling microscope (STM) enables the creation of atomically defined artificial structures that host designer quantum states. However, the time-consuming nature of the manipulation process, coupled with the sensitivity of the STM tip, constrains the exploration of diverse configurations and limits the size of the designed features. In this study, we present a reinforcement learning (RL)-based framework for creating artificial structures by spatially manipulating carbon monoxide (CO) molecules on a copper substrate by using the STM tip. The automated workflow combines molecule detection and manipulation, employing deep-learning-based object detection to locate CO molecules and linear assignment algorithms to allocate these molecules to designated target sites. We initially perform molecule maneuvering based on randomized parameter sampling for sample bias, tunneling current set point, and manipulation speed. This data set is then structured into an action trajectory used to train an RL agent. The model is subsequently deployed on the STM for real-time fine-tuning of the manipulation parameters during structure construction. Our approach incorporates path-planning protocols coupled with active drift compensation to enable atomically precise fabrication of structures with significantly reduced human input while realizing larger-scale artificial lattices with the desired electronic properties. Furthermore, using our approach, we demonstrate the automated construction of an extended artificial graphene lattice and confirm the existence of a characteristic Dirac point in its electronic structure. Further challenges regarding the RL-based structural assembly scalability are discussed.

Algorithms↗
NASA NTRS1994

Electronically Controlled Mechanical Seal for Aerospace Applications -- Part 1: Design, Analysis, and Steady State Tests

An electronically-controlled mechanial seal, for use as the purge gas seal in a liquid oxygen turbopump, has been designed, analyzed, and built. The thickness of the lubricating film between the faces is controlled by adjusting the coning of the carbon face. This is done by applying a voltage across a piezoelectric element to which the carbon face is bound. Steady state tests have shown that the leakage rate (and film thickness) can be adjusted over a substantial range, utilizing the available range of voltage.

Salant, Richard F.↗
NASA NTRS2008

Aromatic Diimides - Potential Dyes for Use in Smart Films and Fibers

New aromatic diimide fluorescent dyes have been prepared with potential for use as chemical sensors and in chromogenic polymers. These dyes have been designed to utilize excited state electron transfer reactions as the means for sensing chemical species. For example, an aniline en-dcapped anthryl diimides functions effectively as an "on-off" sensor for pH and the detection of phosphoryl halide based chemical warfare agents, such as Sarin. In the absence of analytes, fluorescence from this dye is completely quenched by excited state electron transfer from the terminal amines. Reaction of these amines inhibits electron transfer and activates the fluorescence of the dye. Another substituted anthryl diimide is presented with the capability to detect pH and nitroaromatic compounds, such as TNT. Films prepared by doping small amounts (less than 0.1 weight percent) of several of these dyes in polymers such as linear low density polyethylene exhibit thermochromism. At room temperature, these films fluoresce reddish-orange. Upon heating, the fluorescence turns green. This process is reversible cooling the films to room temperature restores the orange emission.

Meador, Michael A.↗
NASA NTRS1993

Design methods for fault-tolerant finite state machines

VLSI electronic circuits are increasingly being used in space-borne applications where high levels of radiation may induce faults, known as single event upsets. In this paper we review the classical methods of designing fault tolerant digital systems, with an emphasis on those methods which are particularly suitable for VLSI-implementation of finite state machines. Four methods are presented and will be compared in terms of design complexity, circuit size, and estimated circuit delay.

Niranjan, Shailesh↗
DOE OSTI2025

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗
DOE OSTI2025

Electronic Structure of the Au Nanoparticle-TiO 2 Heterojunction: Influence of Nanoparticle Size, Shape, Oxygen Vacancies, and Temperature

The electronic structure of the gold nanoparticle-titanium dioxide (AuNP-TiO 2 ) heterojunction plays a critical role for charge transfer and recombination dynamics that underpin its photocatalytic function. However, building a representative model to capture the key physics remains a significant challenge. Here, we investigate the influence of the AuNP size and shape, as well as oxygen vacancy (V O ) defects at the anatase-phase TiO 2 (101) surface and the temperature of the heterojunction, on its interfacial electronic properties. Using density functional theory (DFT), we compare the closed-shell Au 20 and open-shell Au 19 clusters interfaced with pristine and V O defect TiO 2 surfaces. We find that the presence of a V O defect transforms pure TiO 2 from a p-type to an n-type semiconductor, reversing the interfacial band bending from downward to upward. For the heterosystem, density of states (DOS) analysis shows that V O minimally affects the open-shell Au 19 -TiO 2 system, but it significantly alters the closed-shell Au 20 -TiO 2 system, converting it from p-type to n-type at the Γ-point at 0 K. Furthermore, ab initio molecular dynamics (AIMD) simulations at 300 K reveal significant thermal fluctuations in AuNP positions relative to the TiO 2 surface. These fluctuations result in dynamic variations in the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) in all systems studied: Au 19 NP-Pristine TiO 2 , Au 20 NP-Pristine TiO 2 , Au 19 NP-V O defect TiO 2 , and Au 20 NP-V O defect TiO 2 . Complementary Bader charge analysis performed at both 0 K and finite-temperature AIMD snapshots supports the emergence of an upward band bending and the formation of a Schottky barrier at the V O containing heterojunctions. Notably, we find that at finite temperature, an Au atom can dynamically passivate the V O , leading to a pronounced widening of the HOMO-LUMO gap in the AuNP-V O defect TiO 2 heterojunctions. Our computational findings underscore the pivotal role of the V O defect and thermal effects in modulating interfacial band alignment, electronic states, and HOMO-LUMO gaps, providing insights for designing Au-TiO 2 heterojunctions with tailored electronic properties.

Mora Perez, Carlos [Lawrence Berkeley National Lab↗
NASA NTRS2009

Microwave Temperature Profiler Mounted in a Standard Airborne Research Canister

Many atmospheric research aircraft use a standard canister design to mount instruments, as this significantly facilitates their electrical and mechanical integration and thereby reduces cost. Based on more than 30 years of airborne science experience with the Microwave Temperature Profiler (MTP), the MTP has been repackaged with state-of-the-art electronics and other design improvements to fly in one of these standard canisters. All of the controlling electronics are integrated on a single 4 ~5-in. (.10 ~13- cm) multi-layer PCB (printed circuit board) with surface-mount hardware. Improved circuit design, including a self-calibrating RTD (resistive temperature detector) multiplexer, was implemented in order to reduce the size and mass of the electronics while providing increased capability. A new microcontroller-based temperature controller board was designed, providing better control with fewer components. Five such boards are used to provide local control of the temperature in various areas of the instrument, improving radiometric performance. The new stepper motor has an embedded controller eliminating the need for a separate controller board. The reference target is heated to avoid possible emissivity (and hence calibration) changes due to moisture contamination in humid environments, as well as avoiding issues with ambient targets during ascent and descent. The radiometer is a double-sideband heterodyne receiver tuned sequentially to individual oxygen emission lines near 60 GHz, with the line selection and intermediate frequency bandwidths chosen to accommodate the altitude range of the aircraft and mission.

Mahoney, Michael J.↗
DOE OSTI2026

Ohmic contact formation at the Au/Sr 3 Ir 2 O 7 interface

Here, using X-ray photoelectron spectroscopy (XPS), we show that Au forms an Ohmic contact with the surface of the narrow-bandgap Mott insulator Sr 3 Ir 2 O 7 thin films. XPS reveals no significant binding energy shift with increasing Au overlayer thickness on epitaxial Sr 3 Ir 2 O 7 (001) thin films, consistent with the linear current-voltage (I-V) behavior and indicative of negligible band bending. The absence of Schottky barrier formation at the Au/Sr 3 Ir 2 O 7 interface corroborates the metallic surface character of the Sr 3 Ir 2 O 7 thin film, as observed in angle-resolved photoemission spectroscopy (ARPES) studies, suggesting that the interface behaves effectively as a metal-on-metal contact. Furthermore, XPS points to the presence of distinct surface/interface and bulk electronic states for Sr 3 Ir 2 O 7 . This study provides critical material information for designing iridate-based electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Orbital Engineering Band Degeneracy in a Dual-Square Carbon-Oxide Framework

Electron band degeneracies in momentum space give rise to exotic quantum phenomena that have sparked intense interest in condensed matter physics and materials science. Nodal-lines─isolines in k-space formed by the incidental touching of two bands that share the same energy but belong to discrete eigenstates─arise in the presence of symmetries that preclude effective hybridization. Despite recent advances in the design, bottom-up assembly, and engineering of exotic electronic states in graphene nanomaterials, the extension of this approach to access synthetic two-dimensional (2D) quantum materials derived from metal- or covalent-organic frameworks (COFs) has lagged behind. Here we present a molecular orbital engineering approach for designing and fabricating an edge-centered dual square lattice within a π-conjugated 2D-tetraoxa[8]circulene (2D-TOC) COF. First-principles calculations and scanning tunnelling spectroscopy reveal the emergence of Frontier states at the center of a 3 × 3 lattice that give rise to Dirac nodal-lines in 2D-TOC. Our findings not only provide a general guide for the design of conjugated COFs with custom tailored electronic properties from molecular fragments but enable the exploration of emergent topological phenomena in synthetic 2D materials with potential application for high-speed, low-power data processing, transmission, and storage.

Dirac nodal line semimetal↗
NASA NTRS1982

Advanced technology for earth observation - Data processing

The Experimental Land Observing System (ELOS) is to demonstrate major advances in space-based land observation. Program success will depend upon successful demonstration of both space-segment performance and ground-system capabilities. Increases in data-rate, volume, and processing requirements present substantial challenges to the ground data processing system. ELOS is based on the utilization of the multispectral linear array (MLA) sensor, a solid-state, electronically scanned instrument. Current MLA instrument designs offer a number of capabilities beyond those provided in the Landsat imaging devices. These capabilities include greater resolution, inherent registration, onboard calibration, off-nadir pointing capability, and fore/aft pointing capability. The proposed MLA flight mission scenario will be one of continued growth and will include flights on the Space Transportation System. Attention is also given to ground-to-ground data transport, data capture, and the use of high speed computers.

Heffner, P.↗
NASA NTRS1997

Center for Applied Radiation Research (CARR)

Prairie View A&M University (PVAMU) Center for Applied Radiation Research (CARR) was established in 1995 to address the tasks, missions and technological needs of NASA. CARR is built on a tradition of radiation research at Prairie View A&M started in 1984 with NASA funding. This continuing program has lead to: (1) A more fundamental and practical understanding of radiation effects on electronics and materials; (2) A dialog between space, military and commercial electronics manufacturers; (3) Innovative electronic circuit designs; (4) Development of state-of-the-art research facilities at PVAMU; (5) Expanded faculty and staff to mentor student research; and (6) Most importantly, increased flow in the pipeline leading to expanded participation of African-Americans and other minorities in science and technological fields of interest to NASA.

Fogarty, Thomas N.↗
NASA NTRS1980

The use of the principle of superposition in measuring and predicting the thermal characteristics of an electronic equipment operated in a space environment

The advantages and possible pitfalls of using a generalized method of measuring and, based on these measurements, predicting the transient or steady-state thermal response characteristics of an electronic equipment designed to operate in a space environment are reviewed. The method requires generation of a set of thermal influence coefficients by test measurement in vacuo. A implified thermal mockup isused in this test. Once this data set is measured, temperatures resulting from arbitrary steady-state or time varying power profiles can be economically calculated with the aid of a digital computer.

Gale, E. H.↗